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Chemical ID: 6166411
Chemical ID:
6166411
Name [?]:
2-[(2-chloro-6-fluoro-phenyl)methyl-(4-chlorophenyl)sulfonyl-amino]acetic acid
SMILES [?]:
c1cc(c(c(c1)Cl)CN(CC(=O)O)S(=O)(=O)c2ccc(cc2)Cl)F
InChi [?]:
InChI=1/C15H12Cl2FNO4S/c16-10-4-6-11(7-5-10)24(22,23)19(9-15(20)21)8-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,2,19,21,18,22,8,10,20,17,4,5,3,11,23,7,24,9,12,13,15,16,14/E:(4,5)(6,7)(20,21)(22,23)/CRV:24.6/rA:24cCCCCCCClCNCCOOSOOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s11;s9;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2FNO4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.63064 |
Area: | 513.822 |
Solvation: | -4.21489 |
Coulombic: | -38.9056 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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